- InChI
- InChI=1S/C15H28O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,13-14,16H,7-12H2,2-5H3
- InChI Key
- OWRXWSVBJIIORE-UHFFFAOYSA-N
- Formula
- C15H28O
- SMILES
- C#CC(C)(O)CCCC(C)CCCC(C)C
- Molecular Weight1
- 224.38
- CAS
- 1604-35-9
- Other Names
-
- 3,7,11-trimethyldodecyn-3-ol
- 3,7,11-Trimethyl-1-dodecyn-3-ol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-9567.30; -9564.70] | kJ/mol |
|
| ΔcH°liquid | -9567.30 ± 4.30 | kJ/mol | NIST |
| ΔcH°liquid | -9564.70 | kJ/mol | NIST |
| ΔcH°liquid | -9564.70 ± 8.30 | kJ/mol | NIST |
| ΔfG° | 159.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.57 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-339.60; -337.00] | kJ/mol |
|
| ΔfH°liquid | -337.00 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | -339.60 ± 8.30 | kJ/mol | NIST |
| ΔfH°liquid | -339.60 ± 8.30 | kJ/mol | NIST |
| ΔfusH° | 27.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.79 | Crippen Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 219.480 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [1483.00; 1483.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| I | 1927.00 | NIST | |
| Tboil | 620.79 | K | Joback Calculated Property |
| Tc | 796.89 | K | Joback Calculated Property |
| Tfus | 339.02 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.37; 682.92] | J/mol×K | [620.79; 796.89] |
|
| Cp,gas | 595.37 | J/mol×K | 620.79 | Joback Calculated Property |
| Cp,gas | 611.88 | J/mol×K | 650.14 | Joback Calculated Property |
| Cp,gas | 627.57 | J/mol×K | 679.49 | Joback Calculated Property |
| Cp,gas | 642.48 | J/mol×K | 708.84 | Joback Calculated Property |
| Cp,gas | 656.64 | J/mol×K | 738.19 | Joback Calculated Property |
| Cp,gas | 670.11 | J/mol×K | 767.54 | Joback Calculated Property |
| Cp,gas | 682.92 | J/mol×K | 796.89 | Joback Calculated Property |
| ΔvapH | 43.20 ± 1.10 | kJ/mol | 462.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Dodecyn-3-ol, 3,7,11-trimethyl-.
Sources
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